(1-carboxy-2-methylpropan-2-yl)azanium

C5H12NO2+ — CID 59614741

IUPAC(1-carboxy-2-methylpropan-2-yl)azanium
SMILESCC(C)([NH3+])CC(=O)O
InChIInChI=1S/C5H11NO2/c1-5(2,6)3-4(7)8/h3,6H2,1-2H3,(H,7,8)/p+1
InChIKeyNFQAIWOMJQWGSS-UHFFFAOYSA-O
MW118.16 g/mol
LogP-0.52
Rot. Bonds2

About (1-carboxy-2-methylpropan-2-yl)azanium

(1-carboxy-2-methylpropan-2-yl)azanium (PubChem CID 59614741) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is (1-carboxy-2-methylpropan-2-yl)azanium.

Molecular Properties

Compound Name(1-carboxy-2-methylpropan-2-yl)azanium
PubChem CID59614741
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(1-carboxy-2-methylpropan-2-yl)azanium
SMILESCC(C)([NH3+])CC(=O)O
InChIInChI=1S/C5H11NO2/c1-5(2,6)3-4(7)8/h3,6H2,1-2H3,(H,7,8)/p+1
InChIKeyNFQAIWOMJQWGSS-UHFFFAOYSA-O
XLogP-0.52
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87625816
3,3-dichlorobutanoic acid
CID 56997062
CID 174276018
CID 174276018
3-ethyl-3-hydroxypentanoic acid
CID 11513768
3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
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benzene;3-hydroxy-3-methylbutanoic acid
CID 67584950
3-hydroxy-3-iodobutanoic acid
CID 174497141
3,3-dimethyl-4-oxo-4-sulfanylbutanoic acid
CID 141341505
4-amino-3,3-dimethylbutanoic acid
CID 910834
3,3-dimethyl-5-oxohexanoic acid
CID 11332610

Frequently Asked Questions

What is the IUPAC name of (1-carboxy-2-methylpropan-2-yl)azanium?
The IUPAC name of (1-carboxy-2-methylpropan-2-yl)azanium (CID 59614741) is (1-carboxy-2-methylpropan-2-yl)azanium.
What is the SMILES notation for (1-carboxy-2-methylpropan-2-yl)azanium?
The canonical SMILES for (1-carboxy-2-methylpropan-2-yl)azanium is CC(C)([NH3+])CC(=O)O.
What is the InChIKey of (1-carboxy-2-methylpropan-2-yl)azanium?
The InChIKey is NFQAIWOMJQWGSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2/c1-5(2,6)3-4(7)8/h3,6H2,1-2H3,(H,7,8)/p+1.
What are the key properties of (1-carboxy-2-methylpropan-2-yl)azanium?
(1-carboxy-2-methylpropan-2-yl)azanium has a molecular weight of 118.16 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxy-2-methylpropan-2-yl)azanium is sourced from PubChem (CID 59614741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).